2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

C17H22N4O — CID 127246352

IUPAC2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C17H22N4O/c1-14-18-8-10-20(14)13-17(22)21-9-4-5-15(12-21)11-16-6-2-3-7-19-16/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3
InChIKeyYWZGNASAEDCXGH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 127246352) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID127246352
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C17H22N4O/c1-14-18-8-10-20(14)13-17(22)21-9-4-5-15(12-21)11-16-6-2-3-7-19-16/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3
InChIKeyYWZGNASAEDCXGH-UHFFFAOYSA-N
XLogP2.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124981984
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110270623
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 127246352) is 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is YWZGNASAEDCXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-18-8-10-20(14)13-17(22)21-9-4-5-15(12-21)11-16-6-2-3-7-19-16/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 127246352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).